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	hartrees
Energy at 0K	-421.400115
Energy at 298.15K
HF Energy	-421.314631
Nuclear repulsion energy	110.503812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3181	16.13
2	A'	3174	3174	28.63
3	A'	3078	3078	20.91
4	A'	2249	2249	155.17
5	A'	1542	1542	4.40
6	A'	1540	1540	17.78
7	A'	1405	1405	1.02
8	A'	1048	1048	32.36
9	A'	1017	1017	43.39
10	A'	725	725	4.34
11	A'	629	629	1.10
12	A'	248	248	0.18
13	A'	177	177	0.14
14	A"	3181	3181	5.58
15	A"	3175	3175	3.03
16	A"	3080	3080	22.10
17	A"	1533	1533	13.27
18	A"	1529	1529	1.10
19	A"	1387	1387	1.57
20	A"	1044	1044	26.58
21	A"	891	891	0.71
22	A"	746	746	0.37
23	A"	681	681	8.36
24	A"	169	169	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	-0.039	-0.689	0.000
H2	1.385	-0.966	0.000
C3	-0.039	0.550	1.461
C4	-0.039	0.550	-1.461
H5	-1.036	0.992	1.544
H6	-1.036	0.992	-1.544
H7	0.177	0.011	2.387
H8	0.177	0.011	-2.387
H9	0.697	1.347	1.327
H10	0.697	1.347	-1.327

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4514	1.9162	1.9162	2.4900	2.4900	2.4965	2.4965	2.5397	2.5397
H2	1.4514		2.5427	2.5427	3.4754	3.4754	2.8481	2.8481	2.7544	2.7544
C3	1.9162	2.5427		2.9227	1.0929	3.1965	1.0928	3.8917	1.0934	2.9921
C4	1.9162	2.5427	2.9227		3.1965	1.0929	3.8917	1.0928	2.9921	1.0934
H5	2.4900	3.4754	1.0929	3.1965		3.0871	1.7730	4.2284	1.7825	3.3721
H6	2.4900	3.4754	3.1965	1.0929	3.0871		4.2284	1.7730	3.3721	1.7825
H7	2.4965	2.8481	1.0928	3.8917	1.7730	4.2284		4.7734	1.7833	3.9811
H8	2.4965	2.8481	3.8917	1.0928	4.2284	1.7730	4.7734		3.9811	1.7833
H9	2.5397	2.7544	1.0934	2.9921	1.7825	3.3721	1.7833	3.9811		2.6541
H10	2.5397	2.7544	2.9921	1.0934	3.3721	1.7825	3.9811	1.7833	2.6541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.571	P1	C3	H7	109.045
P1	C3	H9	112.191	P1	C4	H6	108.571
P1	C4	H8	109.045	P1	C4	H10	112.191
H2	P1	C3	97.095	H2	P1	C4	97.095
C3	P1	C4	99.394	H5	C3	H7	108.418
H5	C3	H9	109.227	H6	C4	H8	108.418
H6	C4	H10	109.227	H7	C3	H9	109.313
H8	C4	H10	109.313

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B2PLYP=FULLultrafine/6-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B2PLYP=FULLultrafine/6-31G

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)